Basic information
- CAS
82872-96-6- Standard SMILES
CC1(C)OC2(C)CCC1C1C2N1C(=O)c1ccccc1- InChIKey
YBOXHJIOKCZYHT-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- Phenyl-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
- IUPAC
- phenyl-(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl)methanone
Names & synonyms
NSC33560882872-96-6DTXSID50318768NSC-335608Phenyl(5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonan-3-yl)methanone
Database identifiers
- CAS
82872-96-6- PubChem CID
- 333540
- DTXSID
DTXSID50318768
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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